SCHEMBL5566489

SCHEMBL5566489

Cn1cc(Oc2ccc([N+](=O)[O-])cc2Cl)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.56
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
ALDH1A1 P00352 6/20 0.52
MAPT P10636 6/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
GPR55 Q9Y2T6 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ATM Q13315 1/20 0.48
CYP2C9 P11712 2/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5569583 0.86 ALDH1A1 (0.44) PDE7AKMT2AMEN1ALDH1A1MAPT
SCHEMBL27761969 0.85 HSPB1 (0.52) PDE7AKMT2AMEN1ALDH1A1MAPT
SCHEMBL4799414 0.77 P2RX4 (0.42) PDE7AKMT2AMEN1ALDH1A1MAPT
SCHEMBL11511746 0.77 PDE7A (0.71) PDE7AKMT2AMEN1ALDH1A1MAPT
SCHEMBL30050124 0.76 PDE7A (0.52) PDE7AKMT2AMEN1ALDH1A1MAPT
SCHEMBL1406554 0.75 KMT2A (0.63) PDE7AKMT2AMEN1ALDH1A1MAPT
SCHEMBL2967458 0.75 PDE7A (0.78) PDE7AKMT2AMEN1ALDH1A1MAPT
SCHEMBL4029870 0.75 PDE7A (0.73) PDE7AKMT2AMEN1ALDH1A1MAPT
SCHEMBL2031919 0.75 PDE7A (0.60) PDE7AKMT2AMEN1ALDH1A1MAPT
SCHEMBL3484788 0.74 PDE7A (0.56) PDE7AKMT2AMEN1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases BRADBURY ROBERT H 2007-10-04 US disclosed
CN-1993349-A Quinazoline derivatives as ERBB receptor tyrosine kinases ASTRAZENECA AB (SE) 2007-07-04 CN disclosed
EP-1756088-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases ERBB2, ERBB3, ERBB4 PDE7A 2451/4885KMT2A 2263/4885MEN1 1605/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.